SCHEMBL5225799

SCHEMBL5225799

COc1cc(C(N)=O)cc(C(N)=O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.64
PARP10 Q53GL7 2/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
PARP2 Q9UGN5 1/20 0.61
PARP4 Q9UKK3 1/20 0.61
PLAU P00749 1/20 0.49
TSHR P16473 1/20 0.48
APOBEC3A P31941 1/20 0.48
HTT P42858 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
MAP4K4 O95819 1/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
HPGDS O60760 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL894796 0.95 PARP1 (0.64) PARP1PARP10CA1CA2PARP2
SCHEMBL1708875 0.90 PARP1 (0.55) PARP1PARP10CA1CA2PARP2
SCHEMBL19828394 0.87 PARP1 (0.56) PARP1PARP10CA1CA2PARP2
SCHEMBL3087859 0.87 PARP1 (0.56) PARP1PARP10CA1CA2PARP2
SCHEMBL14192803 0.87 PARP1 (0.56) PARP1PARP10CA1CA2PARP2
SCHEMBL23360890 0.86 PARP1 (0.55) PARP1PARP10CA1CA2PARP2
SCHEMBL29826907 0.86 PARP1 (0.55) PARP1PARP10CA1CA2PARP2
Hydrochloric Acid SCHEMBL28611561 0.86 PARP1 (0.55) PARP1PARP10CA1CA2PARP2
SCHEMBL1362735 0.86 PARP1 (0.55) PARP1PARP10CA1CA2PARP2
SCHEMBL25432683 0.86 PARP1 (0.55) PARP1PARP10CA1CA2PARP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119615412-A Preparation method of flame-retardant fiber for fabric 新疆诺纳纺织科技有限公司 2025-03-14 CN claimed
WO-2025065102-A1 PHENYLTHIONE-2,3-DIHYDRO-1H-PYRROLIZINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF USEFUL AS H2S-RELEASING KETOROLAC ANALOGUES ANTIBE THERAPEUTICS INC. (CA) 2025-04-03 WO disclosed
CN-119615412-A Preparation method of flame-retardant fiber for fabric 新疆诺纳纺织科技有限公司 2025-03-14 CN disclosed
EP-1379525-B1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMA INC (US) 2007-10-10 EP disclosed
US-7112595-B2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2006-09-26 US disclosed
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2006-08-24 US disclosed
EP-1679313-A2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2006-07-12 EP disclosed
US-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. 2005-07-14 US disclosed
US-6660753-B2 For therapy of stroke, head trauma, anoxic injury, ischemic injury, hypoglycemia, epilepsy, pain, migraine headaches, Parkinson's disease, senile dementia, Huntington's Chorea, anxiety, and Alzheimer's disease NPS PHARMACEUTICALS, INC. 2003-12-09 US disclosed
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2003-03-20 US disclosed
WO-2002068417-A3 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS SLASSI ABDELMALIK (CA) 2002-11-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 PARP1 4043/4885PARP10 2983/4885CA1 972/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 PARP1 4043/4885PARP10 2983/4885CA1 972/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 PARP1 4043/4885PARP10 2983/4885CA1 972/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.